3-[(2-azanyl-5-chloranyl-phenyl)-(2-fluorophenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[(2-azanyl-5-chloranyl-phenyl)-(2-fluorophenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methyl]thio]propanoic acid IUPAC Name: 3-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methyl]thio]propionic acid Formula: C16H15ClFNO2S MolecularWeight: 339.812203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)N)SCCC(=O)O)F

InChI

InChI=1S/C16H15ClFNO2S/c17-10-5-6-14(19)12(9-10)16(22-8-7-15(20)21)11-3-1-2-4-13(11)18/h1-6,9,16H,7-8,19H2,(H,20,21)